N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride

C8H10ClN3O2 — CID 133059151

IUPACN-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NC1CC1
InChIInChI=1S/C8H9N3O2.ClH/c12-11(13)7-2-1-5-9-8(7)10-6-3-4-6;/h1-2,5-6H,3-4H2,(H,9,10);1H
InChIKeySXZIGUSISVSIOA-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.99
Rot. Bonds3

About N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride

N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride (PubChem CID 133059151) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
PubChem CID133059151
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC NameN-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NC1CC1
InChIInChI=1S/C8H9N3O2.ClH/c12-11(13)7-2-1-5-9-8(7)10-6-3-4-6;/h1-2,5-6H,3-4H2,(H,9,10);1H
InChIKeySXZIGUSISVSIOA-UHFFFAOYSA-N
XLogP1.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 47053881
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
CID 79363256
N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
CID 43599429
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
CID 126821677

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride?
The IUPAC name of N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride (CID 133059151) is N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride.
What is the SMILES notation for N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride?
The canonical SMILES for N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride is Cl.O=[N+]([O-])c1cccnc1NC1CC1.
What is the InChIKey of N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride?
The InChIKey is SXZIGUSISVSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.ClH/c12-11(13)7-2-1-5-9-8(7)10-6-3-4-6;/h1-2,5-6H,3-4H2,(H,9,10);1H.
What are the key properties of N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride?
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride is sourced from PubChem (CID 133059151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).